8QTG
 
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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8QTJ
 | | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.523 Å) | | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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4PB0
 | | Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab53 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ab53 heavy chain, Ab53 light chain, ... | | Authors: | Lu, Z, Rynkiewicz, M.J, Seaton, B.A, Sharon, J. | | Deposit date: | 2014-04-10 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | B-Cell Epitopes in GroEL of Francisella tularensis.
Plos One, 9, 2014
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8QTK
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.873 Å) | | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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5OMY
 | | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | | Descriptor: | 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | | Deposit date: | 2017-08-02 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
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3EID
 | | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | | Descriptor: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 | | Authors: | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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7A4C
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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6OV8
 | | 2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ... | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-07 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
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6QYT
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue | | Descriptor: | DAL-LEU-SER-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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5KCV
 | | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | | Descriptor: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | | Authors: | Eathiraj, S. | | Deposit date: | 2016-06-07 | | Release date: | 2016-06-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
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6QTF
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer | | Descriptor: | DCY-LEU-GLY-ALA-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-25 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QM1
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue | | Descriptor: | DAL-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYU
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A | | Descriptor: | PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6GF3
 | | Tubulin-Jerantinine B acetate complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | | Deposit date: | 2018-04-29 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site.
Sci Rep, 8, 2018
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159D
 | | SIDE BY SIDE BINDING OF TWO DISTAMYCIN A DRUGS IN THE MINOR GROOVE OF AN ALTERNATING B-DNA DUPLEX | | Descriptor: | DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3'), MAGNESIUM ION | | Authors: | Chen, X, Ramakrishnan, B, Rao, S.T, Sundaralingam, M. | | Deposit date: | 1994-02-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex.
Nat.Struct.Biol., 1, 1994
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7A4B
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7A49
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | | Descriptor: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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6OAD
 | | 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655. | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-03-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
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6XZM
 | | Arabidopsis UV-B photoreceptor UVR8 mutant D96N D107N W285A | | Descriptor: | DI(HYDROXYETHYL)ETHER, NITRATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Lau, K, Hothorn, M. | | Deposit date: | 2020-02-04 | | Release date: | 2021-01-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.10009313 Å) | | Cite: | A constitutively monomeric UVR8 photoreceptor confers enhanced UV-B photomorphogenesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6QYV
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue | | Descriptor: | PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYW
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A | | Descriptor: | ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2025-04-09 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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9KDG
 | | CryoEM structure of Calcineurin-fusion Human endothelin receptor type-B in the ligand-free form | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin-fusion endothelin receptor type-B, ... | | Authors: | Shihoya, W, Akasaka, H, Nureki, O. | | Deposit date: | 2024-11-03 | | Release date: | 2025-05-07 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Structure of a lasso peptide bound ET B receptor provides insights into the mechanism of GPCR inverse agonism.
Nat Commun, 16, 2025
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9KDF
 | | CryoEM structure of Calcineurin-fusion Human endothelin receptor type-B in complex with RES-701-3 | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin-fusion endothelin receptor type-B, ... | | Authors: | Shihoya, W, Akasaka, H, Nureki, O. | | Deposit date: | 2024-11-03 | | Release date: | 2025-05-07 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a lasso peptide bound ET B receptor provides insights into the mechanism of GPCR inverse agonism.
Nat Commun, 16, 2025
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2L05
 | | Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F | | Descriptor: | Serine/threonine-protein kinase B-raf | | Authors: | Aramini, J.M, Janjua, H, Ciccosanti, C, Shastry, R, Huang, Y.J, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F
To be Published
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2KJ6
 | | NMR Solution Structure of a Tubulin folding cofactor B obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3436A | | Descriptor: | Tubulin folding cofactor B | | Authors: | Mani, R, Swapna, G.V.T, Shastry, R, Foote, E, Ciccosanti, C, Jiang, M, Xiao, R, Nair, R, Everett, J, Huang, Y.J, Acton, T, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-05-22 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of Tbulin folding Cofactor B obtained from Arabidopsis thaliana: Northeast
To be Published
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